################################################################################ # # # Gulp input file generated by # # SAINT # # Surface and Interface Toolkit for the Materials Chemistry Community # # saint.chem.ucl.ac.uk # # # # ( 1 0 0) Surface # # Region sizes: 5 5 # # Model periodic in 2 dimensions # # # ################################################################################ single noeng title SAINT-generated ( 1 0 0) surface end scell 4.179700 2.666900 90.000000 sfractional region 1 O1 core 0.306200 0.000000 -0.000000 Si1 core 0.500000 0.500000 -0.810026 O1 core 0.693800 0.000000 -1.620052 O1 core 0.193800 0.500000 -2.089850 Si1 core 0.000000 0.000000 -2.899876 O1 shel 0.306200 0.000000 -0.000000 Si1 shel 0.500000 0.500000 -0.810026 O1 shel 0.693800 0.000000 -1.620052 O1 shel 0.193800 0.500000 -2.089850 Si1 shel 0.000000 0.000000 -2.899876 sfractional region 2 O1 core 0.806200 0.500000 -3.709902 O1 core 0.306200 0.000000 -4.179700 Si1 core 0.500000 0.500000 -4.989726 O1 core 0.693800 0.000000 -5.799752 O1 core 0.193800 0.500000 -6.269550 O1 shel 0.806200 0.500000 -3.709902 O1 shel 0.306200 0.000000 -4.179700 Si1 shel 0.500000 0.500000 -4.989726 O1 shel 0.693800 0.000000 -5.799752 O1 shel 0.193800 0.500000 -6.269550